General Information of the Compound
| Compound ID |
CP0400614
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| Compound Name |
(Z)-N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-3-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)prop-2-enamide
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| Structure |
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| Formula |
C34H35ClF3N7O3
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| Molecular Weight |
682.147
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)N(C)C)\C(F)(F)F)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C34H35ClF3N7O3/c1-43(2)24-10-8-22(9-11-24)18-27(34(36,37)38)31(46)40-23-6-5-7-26(19-23)48-32-28(35)21-39-33(42-32)41-29-13-12-25(20-30(29)47-4)45-16-14-44(3)15-17-45/h5-13,18-21H,14-17H2,1-4H3,(H,40,46)(H,39,41,42)/b27-18-
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| InChIKey |
AZPQHHYAMDTQJO-IMRQLAEWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound